CAS 598-32-3|but-3-en-2-ol|3-Buten-2-ol|3-buten-2-ol|3-丁烯-2-醇|3-Buten-2-ol|甲基乙烯基甲醇|Methyl vinyl carbinol|1-Buten-3-ol

Molecular Formula

C₄H₈O

Molecular Mass

72.10572

Exact Mass

72.05751488

InChI

InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3

InChIKey

MKUWVMRNQOOSAT-UHFFFAOYSA-N

Canonic Smiles

CC(C=C)O

Isomeric Smiles

C=CC(C)O

JChem

Acid pKa

16.993166

H Acceptors

H Donor

LogD (pH = 5.5)

0.6292478

LogD (pH = 7.4)

0.6292478

Log P

0.6292478

Molar Refractivity

21.8428

Polarizability

8.475043

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

11716

Synonyms

3-Buten-2-ol3-丁烯-2-醇3-Buten-2-ol甲基乙烯基甲醇Methyl vinyl carbinol1-Buten-3-ol

IUPAC name

but-3-en-2-ol

IUPAC Traditional name

3-buten-2-ol

MDL Number

MFCD00004543

PubChem SID

24892084160974072

Beilstein Number

17195791361410

TSCA Listed

false

是

Storage Warning

TOXIC, FLAMMABLE

RTECS

EM9275050

EM9275000

MSDS Link

Download link

16-26-36

20-26-27-36/37/39-45-57

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

P210-P261-P305+P351+P338

P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A

UN 1987 3/PG 2

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

1987

UN1986

H225-H315-H319-H332-H335

H225-H300-H310-H318-H411-H401

11-20-36/37/38

11-24/25-41-51/53

Product Information

97%

CH2=CHCH(OH)CH3

Physical Property

No Data Available

Click here to submit data

No Data Available

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Sigma Aldrich

B86400

Packaging
5, 25 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

11716

Synonyms

3-Buten-2-ol3-丁烯-2-醇3-Buten-2-ol甲基乙烯基甲醇Methyl vinyl carbinol1-Buten-3-ol

IUPAC name

but-3-en-2-ol

IUPAC Traditional name

3-buten-2-ol

MDL Number

PubChem SID

Beilstein Number

B86400

Packaging
5, 25 g in glass bottle

No Data Available

Click here to submit data

Safety Information

Product Information

97%

CH2=CHCH(OH)CH3

Physical Property

Flammable (F)

Nature polluting (N)

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Flash Point

60.8 °F

16 °C

20°C(68°F)

Melting Point

<-100°C

Molecule

ID:10765